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Error message with tm2molden
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Topic: Error message with tm2molden (Read 429 times)
lasermichel
Newbie
Posts: 8
Error message with tm2molden
«
on:
March 08, 2010, 10:47:31 AM »
Hi,
I got the following error message with tm2molden in TURBOMOLE v5.9:
705 is greater than mxcao=(ndi4*ndi19)= 704 - use higher ndi19 !
It was a continuation of e previous optimization within the same symmetry (Cs), so why should the dimension change?
Looking forward to your comments.
Michael
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